4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(4-fluorophenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C27H21FO2 MolecularWeight: 396.452843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C27H21FO2/c1-27(2)16-15-23(20-10-12-22(28)13-11-20)24-17-19(7-14-25(24)27)4-3-18-5-8-21(9-6-18)26(29)30/h5-15,17H,16H2,1-2H3,(H,29,30)